Dataset

PERILLYL ALCOHOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009069 contains the MS mass spectrum of PERILLYL ALCOHOL with the InChIkey NDTYTMIUWGWIMO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
SMILES	OCC(C1)=C([H])CC(C(C)=C)C1
InChI Key	NDTYTMIUWGWIMO-UHFFFAOYSA-N
Molecular Formula	C10H16O
Exact Mass	152.120 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009069
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:06.863225
MetadataModified	2024-01-11T15:56:07.013144
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MTBLC15420	Metabolights
HMDB0003634	Human Metabolome Database
CB0695703	ChemicalBook
15420	Rhea
6011	Brenda
319R5C7293	FDA SRS
DTXSID4052180	EPA CompTox Dashboard
MCULE-1420218917	Mcule
HY-N7000	MedChemExpress
20055161	NMRShiftDB
50252404	BindingDB
J11.581I	Nikkaji
10819	PubChem
PD000959	ProbesDrugs
1406-56-0	ACToR
15219269	PubChem: Thomson Pharma
SCHEMBL296111	SureChEMBL
536-59-4	ACToR
perillyl	Recon
CHEMBL444711	ChEMBL
15420	ChEBI
31266281	eMolecules
The data in this table is sourced from UniChem at EBI.